alignment - Aligning 2 small molecules in PyMOL -


i want align ligands in pymol 1 protein structures, error message:

executivealign: mobile selection must derive 1 object only

i copied ligands separate pdb files, renamed hetatm entries atom, still error. wondering why pymol has problems aligning small molecules.

ps: ligands have similar structure, different coordinates.

when align align function pymol seeds structural alignment doing sequence alignment first.

you can use pair_fit function have specify corespondency between atoms. function takes 2 selections, 1 each element, have same number of atoms.

if ligands have exact same chemical structure can pass objects directly, if not have make appropriate selections.


Comments

Post a Comment

Popular posts from this blog

jquery - How can I dynamically add a browser tab? -

since using iframes house external pages are, accounts "not preferred method" , disallowed sites (flickr, one), want dynamically generate browser tabs. e.g., when user submits form, want dynamically generate tab on browser in response submitted. e.g., might want add new tab url like: http://www.bigsurgarrapata.com/contact how in jquery? you want form target attribute action attribute. http://www.w3schools.com/tags/att_form_target.asp browsers have ultimate control on result of target attribute open new tab value of _blank. <form action="contact_submit.php" target="_blank" method="post">
Read more

node.js - Getting the socket id,user id pair of a logged in user(s) -

i have web application done using node js , in it,i have authentication system requires users log in before can access pages. have 2 pages,the homepage , updates page. from read docs,a new socket id issued when user opens tab in browser. me being admin,i know socket id of logged in user , more so,the socket id,logged in user id pair logged in users. what method can use socket id,logged in user id pair make sure broadcast realtime info users online?.
Read more

keyboard - C++ GetAsyncKeyState alternative -

i using windows.h library's getasynckeystate function define key pushed on keyboard . here program returns int value of pushed key example. #include <iostream> #include <windows.h> using namespace std; int main (){ char i; for(i=8;i<190;i++){ if(getasynckeystate(i)== -32767){ cout<<int (i)<<endl; } } return 0; } but trying make opengl simple game , function appeared slow . there function not need cycle 180 times , if statement . thanks you're trying make opengl game, you're going use glfw. if that's case can away using glfwgetkey() such: if (glfwgetkey(glfw_key_up) == glfw_press) {...} if (glfwgetkey(glfw_key_down) == glfw_press) {...} that method nicely explained in tutorial 6 opengl-tutorial.org . should start first tutorial of beginners tutorials , later intermediate tutorials . if you're going make win32 window can listen wm_keydown or wm_keyup messages , virtua
Read more